5,6-Dihydrodihydroxycarbaryl
TL;DR: 5,6-Dihydrodihydroxycarbaryl (CAS 5375-49-5) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,6-dihydroxy-5,6-dihydronaphthalen-1-yl) N-methylcarbamate
Also Known As: carbaryl metabolite, 6-Selenoguanine, 5,6-Dihydrodihydroxycarbaryl, Carbaryl-5,6-dihydro-5,6-dihydroxy, 1,2-Dihydro-1,2,5-naphthalenetriol 5-(methylcarbamate)
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 5375-49-5 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC2=C1C=CC(C2O)O |
| InChIKey | YFHMZQOVLAGRRU-UHFFFAOYSA-N |
Product Overview
5,6-Dihydrodihydroxycarbaryl (CAS 5375-49-5), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: (5,6-dihydroxy-5,6-dihydronaphthalen-1-yl) N-methylcarbamate.
Chemical Property Profile of 5,6-Dihydrodihydroxycarbaryl
Property Insights of 5,6-Dihydrodihydroxycarbaryl
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dihydrodihydroxycarbaryl. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dihydrodihydroxycarbaryl. Following Lipinski's Rule of Five, 5,6-Dihydrodihydroxycarbaryl has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,6-Dihydrodihydroxycarbaryl?
The CAS number of 5,6-Dihydrodihydroxycarbaryl is 5375-49-5.
What is the molecular formula of 5,6-Dihydrodihydroxycarbaryl?
The molecular formula of 5,6-Dihydrodihydroxycarbaryl is C12H13NO4.
What is the molecular weight of 5,6-Dihydrodihydroxycarbaryl?
The molecular weight of 5,6-Dihydrodihydroxycarbaryl is 235.08 g/mol.
Where can I buy 5,6-Dihydrodihydroxycarbaryl?
You can request a quote for 5,6-Dihydrodihydroxycarbaryl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dihydrodihydroxycarbaryl?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydrodihydroxycarbaryl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.